Persistent homology elucidates hierarchical structures responsible for mechanical properties in covalent amorphous solids.

ABSTRACT: Understanding how atomic-level structures govern the mechanical properties of amorphous materials remains a fundamental challenge in solid-state physics. Under mechanical loading, amorphous materials exhibit simple affine and spatially inhomogeneous nonaffine displacements that contribute to the elastic modulus through the Born (affine) and nonaffine terms, respectively. The differences between soft local structures characterized by small Born terms or large nonaffine displacements have yet to be elucidated. This challenge is particularly complex in covalent amorphous materials such as silicon, where the medium-range order (MRO) plays a crucial role in the network structure. To address these issues, we combined molecular dynamics simulations with persistent homology analysis. Our results r

SUBMITTER: Minamitani E 

PROVIDER: S-EPMC12462471 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature